SCHEMBL8260503

SCHEMBL8260503

O=C(COCc1ccc([N+](=O)[O-])cc1)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.64
HDAC4 P56524 6/20 0.63
HDAC6 Q9UBN7 5/20 0.63
MEF2D Q14814 2/20 0.49
HDAC2 Q92769 3/20 0.49
TGM2 P21980 1/20 0.49
EP300 Q09472 1/20 0.48
SIRT5 Q9NXA8 2/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8260908 0.93 HDAC1 (0.73) HDAC1HDAC4HDAC6MEF2DHDAC2
SCHEMBL5281645 0.92 HDAC1 (0.52) HDAC1HDAC4HDAC6MEF2DHDAC2
SCHEMBL5281624 0.92 HDAC1 (0.52) HDAC1HDAC4HDAC6MEF2DHDAC2
SCHEMBL8259289 0.90 HDAC1 (0.68) HDAC1HDAC4HDAC6MEF2DHDAC2
SCHEMBL5287405 0.86 HDAC1 (0.62) HDAC1HDAC4HDAC6MEF2DHDAC2
SCHEMBL5280487 0.84 HDAC1 (0.60) HDAC1HDAC4HDAC6MEF2DHDAC2
SCHEMBL5280493 0.84 HDAC1 (0.60) HDAC1HDAC4HDAC6MEF2DHDAC2
SCHEMBL5278245 0.81 HDAC1 (0.55) HDAC1HDAC4HDAC6MEF2DHDAC2
SCHEMBL8261388 0.81 HDAC1 (0.78) HDAC1HDAC4HDAC6MEF2DHDAC2
SCHEMBL5326792 0.80 HDAC1 (0.71) HDAC1HDAC4HDAC6MEF2DHDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO disclosed